Workshop on Computational Mass Spectrometry – University of Aberdeen

Our partners from the Marine Biodiscovery Centre (Department of Chemistry, University of Aberdeen) are organising an interactive workshop on Computational Mass Spectrometry. It will run from the 19th until the 21st of June 2024 at the Science Teaching Hub at the University of Aberdeen.

The Science Teaching Hub is a modern learning space at the University of Aberdeen that has been designed around the provision of specialist teaching, training and learning for students across a number of disciplines including chemistry, medical sciences, biological sciences and geosciences.

The course offers first-hand opportunity to learn about Mass Spectrometry data analysis tools directly from the makers. The workshop will run with an active learning format allowing you to perform real time exercises on your data. All talks are followed by a Q&A session where you’ll have the chance to discuss your findings with the creators of computation tools such as GNPS, FERMO and SIRIUS.

The topics covered in this interactive workshop on metabolomics tools and software are summarised below:

  • Data conversion – MzMine (open-source software for mass spectrometry data processing)
  • Processing Concatenated Nuclear magnetic resonance (NMR) and Mass Spectral datasets as a new Metabolomics approach in defining biomarkers in homogeneous samples
  • Computational Metabolomics Strategies to Organize, Prioritize, and Annotate Datasets – Motivation, Concepts, and Practical Insights
  • Studying and Visualizing Molecular Networks in CytoScape
  • Prioritization of metabolite features by FERMO
  • Presentation on SIRIUS – a java-based software framework for the analysis of LC-MS/MS data of metabolites and other “small molecules of biological interest”
  • Metabolomics Unveiled: Mass Spectrometry-based Approaches for Comprehensive Structural Annotation of Bioactive Metabolites in Food and Medicinal Plants

Lunch and coffee will be provided. Due to room availability, the organisers ask you to please sign up for free through the link provided below. 

Location: Bedford Rd, Aberdeen AB24 3AA, United Kingdom

Follow the below link to view the detailed agenda and to register your attendance!